The major goal of the CADD Center is to discover novel chemical entities with the potential to be developed into novel therapeutic agents.

Molecular Dynamics Simulations

Softwares : GROMACS, NAMD, AMBERMolecular dynamics simulations was used to insight the dynamical and structural behaviour of the proteins. It is an important tool to investigate the physical basis of hte structure and the function of biological macromolecules.

Molecular ModelingSoftwares: Modeller, SwissProt, Discovery Studio

Density Functional TheorySoftwares: Gaussian, GAMESS

X-ray Crystallograpy

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